Amphiphilic Indoline-Based Unsymmetrical Squaraine Dyes for Dye-Sensitized Solar Cells: Modulating the Dye-TiO2/Electrolyte Interface for Nonaqueous and Aqueous Electrolytes

Author(s):  
Ambarish Kumar Singh ◽  
Jayaraj Nithyanandhan
RSC Advances ◽  
2019 ◽  
Vol 9 (69) ◽  
pp. 40292-40300
Author(s):  
Anantharaj Gopalraman ◽  
Subbian Karuppuchamy ◽  
Saranyan Vijayaraghavan

VOC–JSC trade off is eliminated. Newly created surface states by OA in TiO2 facilitated the charge transfer kinetics.


2014 ◽  
Vol 2014 ◽  
pp. 1-11 ◽  
Author(s):  
Reda M. El-Shishtawy ◽  
Shaaban A. Elroby ◽  
Abdullah M. Asiri ◽  
Rifaat H. Hilal

In an effort to provide, assess, and evaluate a theoretical approach which enables designing efficient donor-acceptor dye systems, the electronic structure and optical properties of pyran-squaraine as donor-acceptor dyes used in dye-sensitized solar cells were investigated. Ground state properties have been computed at the B3LYP/6-31+G**level of theory. The long-range corrected density functionals CAM-B3LYP, PBEPBE, PBE1PBE (PBE0), and TPSSH with 6-311++G**were employed to examine absorption properties of the studied dyes. In an extensive comparison between experimental results and ab initio benchmark calculations, the TPSSH functional with 6-311++G**basis set was found to be the most appropriate in describing the electronic properties for the studied pyran and squaraine dyes. Natural transition orbitals (NTO), frontier molecular orbitals (FMO), LUMO, HOMO, and energy gaps, of these dyes, have been analyzed to show their effect on the process of electron injection and dye regeneration. Interaction between HOMO and LUMO of pyran and squaraine dyes was investigated to understand the recombination process and charge-transfer process involving these dyes. Additionally, we performed natural bond orbital (NBO) analysis to investigate the role of charge delocalization and hyperconjugative interactions in the stability of the molecule.


2018 ◽  
Vol 10 (31) ◽  
pp. 26335-26347 ◽  
Author(s):  
Rajesh Bisht ◽  
Vediappan Sudhakar ◽  
Munavvar Fairoos Mele Kavungathodi ◽  
Neeta Karjule ◽  
Jayaraj Nithyanandhan

2019 ◽  
Vol 2 (12) ◽  
pp. 8464-8472 ◽  
Author(s):  
Vellimalai Punitharasu ◽  
Munavvar Fairoos Mele Kavungathodi ◽  
Ambarish Kumar Singh ◽  
Jayaraj Nithyanandhan

2015 ◽  
Vol 88 (7) ◽  
pp. 208-217 ◽  
Author(s):  
Takeshi MAEDA ◽  
Daisuke KAKIO ◽  
Shigeyuki YAGI ◽  
Hiroyuki NAKAZUMI

2013 ◽  
Vol 29 (09) ◽  
pp. 1851-1864 ◽  
Author(s):  
LI Jing-Zhe ◽  
◽  
KONG Fan-Tai ◽  
WU Guo-Hua ◽  
HUANG Yang ◽  
...  

2015 ◽  
Vol 17 (35) ◽  
pp. 23095-23103 ◽  
Author(s):  
Suraj Soman ◽  
M. A. Rahim ◽  
S. Lingamoorthy ◽  
Cherumuttathu H. Suresh ◽  
Suresh Das

Unsymmetrical squaraine dyes (CTSQ-1 and CTSQ-2) with carbazole thiophene donor units were synthesized, characterized and used as sensitizers in dye-sensitized solar cells (DSSCs).


Sign in / Sign up

Export Citation Format

Share Document